6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one
C150H108Cl15F3N30O6 — CID 159145909
Data last refreshed: (MolForge compound catalog, from PubChem)
About 6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one
6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one (PubChem CID 159145909) has the molecular formula C150H108Cl15F3N30O6 and a molecular weight of 3015.51 g/mol. Its IUPAC name is 6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one.
Molecular Properties
| Compound Name | 6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one |
|---|---|
| PubChem CID | 159145909 |
| Molecular Formula | C150H108Cl15F3N30O6 |
| Molecular Weight | 3015.51 g/mol |
| Exact Mass | 3006.43 |
| IUPAC Name | 6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one |
| SMILES | Cn1nncc1[C@@](Cl)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(Cl)c3)cc(=O)n(C)c2cn1.Cn1nncc1[C@@](Cl)(c1ccc(Cl)cc1)c1ccc2c(n1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1nncc1[C@@](Cl)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1nncc1[C@@](F)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(Cl)c3)cc(=O)n(C)c2cn1.Cn1nncc1[C@@](F)(c1ccc(Cl)cc1)c1ccc2c(n1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1nncc1[C@@](F)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C |
| InChI | InChI=1S/3C25H18Cl3N5O.3C25H18Cl2FN5O/c1-32-23(34)12-20(15-4-3-5-19(27)10-15)21-11-17(13-29-24(21)32)25(28,22-14-30-31-33(22)2)16-6-8-18(26)9-7-16;1-32-21-13-29-22(11-20(21)19(12-24(32)34)15-4-3-5-18(27)10-15)25(28,23-14-30-31-33(23)2)16-6-8-17(26)9-7-16;1-32-20-10-11-21(30-24(20)19(13-23(32)34)15-4-3-5-18(27)12-15)25(28,22-14-29-31-33(22)2)16-6-8-17(26)9-7-16;1-32-23(34)12-20(15-4-3-5-19(27)10-15)21-11-17(13-29-24(21)32)25(28,22-14-30-31-33(22)2)16-6-8-18(26)9-7-16;1-32-21-13-29-22(11-20(21)19(12-24(32)34)15-4-3-5-18(27)10-15)25(28,23-14-30-31-33(23)2)16-6-8-17(26)9-7-16;1-32-20-10-11-21(30-24(20)19(13-23(32)34)15-4-3-5-18(27)12-15)25(28,22-14-29-31-33(22)2)16-6-8-17(26)9-7-16/h6*3-14H,1-2H3/t6*25-/m111111/s1 |
| InChIKey | KIRDTPUUOUPMJN-NVJGGPJISA-N |
| XLogP | 32.59 |
| TPSA | 393.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 204 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3015.51 |
| LogP ≤ 5 | 32.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 36 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 159145909 — identifiers, structure, computed properties (public domain)
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